N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

C20H26N6O2 — CID 86829312

IUPACN-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C20H26N6O2/c1-15(26-13-7-11-22-26)20(28)24(3)14-19(27)21-10-6-12-25-16(2)23-17-8-4-5-9-18(17)25/h4-5,7-9,11,13,15H,6,10,12,14H2,1-3H3,(H,21,27)
InChIKeyNYBXBEUESZQQTP-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.77
Rot. Bonds8

About N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 86829312) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
PubChem CID86829312
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C20H26N6O2/c1-15(26-13-7-11-22-26)20(28)24(3)14-19(27)21-10-6-12-25-16(2)23-17-8-4-5-9-18(17)25/h4-5,7-9,11,13,15H,6,10,12,14H2,1-3H3,(H,21,27)
InChIKeyNYBXBEUESZQQTP-UHFFFAOYSA-N
XLogP1.77
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86823431
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55451342

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (CID 86829312) is N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is Cc1nc2ccccc2n1CCCNC(=O)CN(C)C(=O)C(C)n1cccn1.
What is the InChIKey of N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is NYBXBEUESZQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15(26-13-7-11-22-26)20(28)24(3)14-19(27)21-10-6-12-25-16(2)23-17-8-4-5-9-18(17)25/h4-5,7-9,11,13,15H,6,10,12,14H2,1-3H3,(H,21,27).
What are the key properties of N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 382.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86829312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).